6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one

C11H15ClN2O2 — CID 114582075

IUPAC6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCCC1CCCO1
InChIInChI=1S/C11H15ClN2O2/c12-10-7-11(15)14(8-13-10)5-1-3-9-4-2-6-16-9/h7-9H,1-6H2
InChIKeyUDYRONWIMAMVLT-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.86
Rot. Bonds4

About 6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one

6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one (PubChem CID 114582075) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
PubChem CID114582075
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCCC1CCCO1
InChIInChI=1S/C11H15ClN2O2/c12-10-7-11(15)14(8-13-10)5-1-3-9-4-2-6-16-9/h7-9H,1-6H2
InChIKeyUDYRONWIMAMVLT-UHFFFAOYSA-N
XLogP1.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one (CID 114582075) is 6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one is O=c1cc(Cl)ncn1CCCC1CCCO1.
What is the InChIKey of 6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The InChIKey is UDYRONWIMAMVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-10-7-11(15)14(8-13-10)5-1-3-9-4-2-6-16-9/h7-9H,1-6H2.
What are the key properties of 6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one has a molecular weight of 242.71 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one is sourced from PubChem (CID 114582075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).